1,2-dichloro-3-pentan-3-ylbenzene

C11H14Cl2 — CID 67478357

IUPAC1,2-dichloro-3-pentan-3-ylbenzene
SMILESCCC(CC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2/c1-3-8(4-2)9-6-5-7-10(12)11(9)13/h5-8H,3-4H2,1-2H3
InChIKeyDRWLDYBIQFNAFB-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.90
Rot. Bonds3

About 1,2-dichloro-3-pentan-3-ylbenzene

1,2-dichloro-3-pentan-3-ylbenzene (PubChem CID 67478357) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1,2-dichloro-3-pentan-3-ylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-pentan-3-ylbenzene
PubChem CID67478357
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1,2-dichloro-3-pentan-3-ylbenzene
SMILESCCC(CC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2/c1-3-8(4-2)9-6-5-7-10(12)11(9)13/h5-8H,3-4H2,1-2H3
InChIKeyDRWLDYBIQFNAFB-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
CID 43108281
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-pentan-3-ylbenzene?
The IUPAC name of 1,2-dichloro-3-pentan-3-ylbenzene (CID 67478357) is 1,2-dichloro-3-pentan-3-ylbenzene.
What is the SMILES notation for 1,2-dichloro-3-pentan-3-ylbenzene?
The canonical SMILES for 1,2-dichloro-3-pentan-3-ylbenzene is CCC(CC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-pentan-3-ylbenzene?
The InChIKey is DRWLDYBIQFNAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-3-8(4-2)9-6-5-7-10(12)11(9)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-3-pentan-3-ylbenzene?
1,2-dichloro-3-pentan-3-ylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-pentan-3-ylbenzene is sourced from PubChem (CID 67478357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).